(git:0de0cc2)
rpa_im_time.F File Reference

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Modules

module  rpa_im_time
 Routines for low-scaling RPA/GW with imaginary time.
 

Functions/Subroutines

subroutine, public rpa_im_time::compute_mat_p_omega (mat_P_omega, fm_scaled_dm_occ_tau, fm_scaled_dm_virt_tau, fm_mo_coeff_occ, fm_mo_coeff_virt, fm_mo_coeff_occ_scaled, fm_mo_coeff_virt_scaled, mat_P_global, matrix_s, ispin, t_3c_M, t_3c_O, t_3c_O_compressed, t_3c_O_ind, starts_array_mc, ends_array_mc, starts_array_mc_block, ends_array_mc_block, weights_cos_tf_t_to_w, tj, tau_tj, e_fermi, eps_filter, alpha, eps_filter_im_time, Eigenval, nmo, num_integ_points, cut_memory, unit_nr, mp2_env, para_env, qs_env, do_kpoints_from_Gamma, index_to_cell_3c, cell_to_index_3c, has_mat_P_blocks, do_ri_sos_laplace_mp2, dbcsr_time, dbcsr_nflop)
 ... More...
 
subroutine, public rpa_im_time::zero_mat_p_omega (mat_P_omega)
 ... More...
 
subroutine, public rpa_im_time::compute_mat_dm_global (fm_scaled_dm_occ_tau, fm_scaled_dm_virt_tau, tau_tj, num_integ_points, nmo, fm_mo_coeff_occ, fm_mo_coeff_virt, fm_mo_coeff_occ_scaled, fm_mo_coeff_virt_scaled, mat_dm_occ_global, mat_dm_virt_global, matrix_s, ispin, Eigenval, e_fermi, eps_filter, memory_info, unit_nr, jquad, do_kpoints_cubic_RPA, do_kpoints_from_Gamma, qs_env, num_cells_dm, index_to_cell_dm, para_env)
 ... More...
 
subroutine, public rpa_im_time::compute_transl_dm (mat_dm_global, qs_env, ispin, num_integ_points, jquad, e_fermi, tau, eps_filter, num_cells_dm, index_to_cell_dm, remove_occ, remove_virt, first_jquad)
 ... More...
 
subroutine, public rpa_im_time::compute_periodic_dm (mat_dm_global, qs_env, ispin, num_integ_points, jquad, e_fermi, tau, remove_occ, remove_virt, alloc_dm)
 ... More...
 
subroutine, public rpa_im_time::init_cell_index_rpa (cell_grid, cell_to_index, index_to_cell, cell)
 ... More...